Mol:FL5FECGS0029

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  36  37
M  SBL   4  1  39
M  SMT   4  CH2OH
M  SVB   4 39   -3.4219    0.4458
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  34  35
M  SBL   3  1  37
M  SMT   3  OCH3
M  SVB   3 37    3.5254    1.1331
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  OCH3
M  SVB   2 35   -1.5508   -1.3589
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33    1.4569   -1.0246
S  SKP  8
ID	FL5FECGS0029
KNApSAcK_ID	C00005675
NAME	Centaurein
CAS_RN	35595-03-0
FORMULA	C24H26O13
EXACTMASS	522.137340918
AVERAGEMASS	522.45544
SMILES	c(c4O)(C2=O)c(cc(c4OC)O[C@@H]([C@H]3O)OC(CO)[C@H](O)[C@@H]3O)OC(=C(OC)2)c(c1)ccc(c1O)OC
M  END

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